Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Trypanothione reductase' and Ligand = 'BDBM50408797'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trypanothione reductase (Trypanosoma cruzi)	BDBM50408797 (CHEMBL151228) Show SMILES CCN(CC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C24H32ClN3O/c1-5-28(6-2)14-8-7-9-17(3)26-24-20-12-10-18(25)15-23(20)27-22-13-11-19(29-4)16-21(22)24/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50408797 (CHEMBL151228) Show SMILES CCN(CC)CCCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C24H32ClN3O/c1-5-28(6-2)14-8-7-9-17(3)26-24-20-12-10-18(25)15-23(20)27-22-13-11-19(29-4)16-21(22)24/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots				J Med Chem 42: 5448-54 (2000) BindingDB Entry DOI: 10.7270/Q2FJ2G0Q
					More data for this Ligand-Target Pair